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Sugi Predict / Compounds / SCHEMBL4478417

SCHEMBL4478417

SCHEMBL4478417

CC(=O)C(OC(C)C)(OC(C)C)C(=O)[O-].CC(=O)C(OC(C)C)(OC(C)C)C(=O)[O-].CC(=O)C(OC(C)C)(OC(C)C)C(=O)[O-].CC(=O)C(OC(C)C)(OC(C)C)C(=O)[O-].[Ti+4]

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.33
▸ CA1 P00915 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8520582 0.95 TSHR (0.33) TSHRCA1
SCHEMBL2352551 0.95 TSHR (0.33) TSHRCA1
SCHEMBL27702221 0.80 TSHR (0.39) TSHR
SCHEMBL9064424 0.80 TSHR (0.39) TSHR
SCHEMBL2780515 0.78 TSHR (0.31) TSHR
SCHEMBL28677726 0.76 TSHR (0.36) TSHR
SCHEMBL7645399 0.74 TSHR (0.35) TSHR
SCHEMBL28515565 0.74 TSHR (0.35) TSHRCA1
SCHEMBL8520581 0.74 TSHR (0.35) TSHR
SCHEMBL29163003 0.74 CA4 (0.32) —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1808467-B1 Liquid silicone rubber coating composition, curtain airbag and making method SHINETSU CHEMICAL CO (JP) 2014-03-05 — — EP claimed
US-7534499-B2 Liquid silicone rubber coating composition, curtain airbag and making method SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-05-19 — — US claimed
EP-1808467-B1 Liquid silicone rubber coating composition, curtain airbag and making method SHINETSU CHEMICAL CO (JP) 2014-03-05 — — EP disclosed
US-7534499-B2 Liquid silicone rubber coating composition, curtain airbag and making method SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-05-19 — — US disclosed
US-20070166555-A1 LIQUID SILICONE RUBBER COATING COMPOSITION, CURTAIN AIRBAG AND MAKING METHOD SHIN -ETSU CHEMICAL CO., LTD. (JP) 2007-07-19 — — US disclosed
EP-1808467-A2 Liquid silicone rubber coating composition, curtain airbag and making method Shin-Etsu Chemical Co., Ltd. (JP) 2007-07-18 — — EP disclosed